[(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(pyrrolidin-1-ylmethyl)benzoate

Systemtic Name: [(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(pyrrolidin-1-ylmethyl)benzoate Openeye Name: [(1R)-2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 4-(pyrrolidin-1-ylmethyl)benzoate CAS Name: 4-(1-pyrrolidinylmethyl)benzoic acid [(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 4-(pyrrolidin-1-ylmethyl)benzoate Traditional Name: 4-(pyrrolidinomethyl)benzoic acid [(1R)-2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)C2=CC=C(C=C2)CN3CCCC3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C#N)OC(=O)C2=CC=C(C=C2)CN3CCCC3

InChI

InChI=1S/C22H23N3O3/c1-16(21(26)24-20-7-3-2-6-19(20)14-23)28-22(27)18-10-8-17(9-11-18)15-25-12-4-5-13-25/h2-3,6-11,16H,4-5,12-13,15H2,1H3,(H,24,26)/t16-/m1/s1